SCHEMBL725340

SCHEMBL725340

O=c1[nH]nccc1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
CYP19A1 P11511 1/20 0.32
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
PRKCI P41743 1/20 0.31
PDE4B Q07343 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 2/20 0.31
ALOX15 P16050 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CDK2 P24941 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
COMT P21964 1/20 0.31
SCN4A P35499 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL387489 0.70
SCHEMBL1488645 0.70
SCHEMBL1456892 0.69 HCAR2 (0.41) HCAR2CYP19A1IDO1ALDH1A1PARP1
SCHEMBL24880080 0.68 CYP19A1 (0.38) HCAR2CYP19A1IDO1ALDH1A1PARP1
SCHEMBL27239649 0.67 HCAR2 (0.36) HCAR2CYP19A1NPC1ALOX15RAB9A
SCHEMBL29149706 0.67 CYP19A1 (0.33) HCAR2CYP19A1POLB
SCHEMBL797702 0.67
Hydrochloric Acid SCHEMBL18209851 0.65
Water SCHEMBL15670700 0.65
SCHEMBL6207209 0.65

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
EP-2480533-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
US-8158803-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-8158803-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-8158803-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
EP-2421831-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2011033045-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LI JIM 2011-03-24 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US disclosed
WO-2010122082-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LEE EUN KYUNG 2010-10-28 US disclosed
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LEE EUN KYUNG 2010-10-28 US disclosed
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LEE EUN KYUNG 2010-10-28 US disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 HCAR2 2989/4885CYP19A1 1568/4885IDO1 2043/4885
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 HCAR2 3435/4885CYP19A1 1514/4885IDO1 1906/4885
US-20100272677-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, RRM2B HCAR2 2763/4885CYP19A1 1259/4885IDO1 1714/4885
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 HCAR2 3306/4885CYP19A1 776/4885IDO1 2177/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.